Cyclopropanesulfonyl chloride

HCID 2760919CAS 139631-62-2

기본 정보

표준 SMILES: O=S(=O)(Cl)C1CC1
InChIKey: PFWWSGFPICCWGU-UHFFFAOYSA-N
분자식: C3H5ClO2S
평균 분자량: 140.59 g/mol
단동위원소 질량: 139.96987808

이름 및 식별자

우선 이름: Cyclopropanesulfonyl chloride
IUPAC: cyclopropanesulfonyl chloride
영어명: Cyclopropanesulfonyl chloride
분자식: C3H5ClO2S
분자량: 140.59

이름 및 동의어

Cyclopropanesulfonyl chloride139631-62-2DTXSID50375412RefChem:336301DTXCID70326441630-790-8cyclopropanesulfonylchloridechlorocyclopropylsulfoneMFCD01631933cyclopropanesulphonyl chloridecyclopropylsulfonyl chloridecyclopropylsulfonylchloride

이름 더 보기

opropanesuLCyclopropanesulfonylCyclopronaneSulfonylChlorideCyclopropanesulfonyl chlorid(Chlorosulphonyl)cyclopropane

cyclopropylsulphonyl chloridecyclopropyl sulfonyl chloridecyclopropane sulphonyl chloridecyclopropanesulphonic acid chloridecyclopropane sulfonic acid chlorideCyclopropanesulfonyl chloride, 95%cyclopropane sulfonyl chloridecyclopropanesulfonic acid chloride

데이터베이스 식별자

CAS: 139631-62-2
PubChem CID: 2760919
DTXSID: DTXSID50375412
EC Number: 630-790-8
Nikkaji: J525.540F

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 150

물리화학적 성질

끓는 점: 60 °C/2mm · 60°C/2mm
밀도: 1.38 g/mL · 1.38 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4770(lit.)
인화점: 204 °F · 204 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색~담황색 투명
InChI: InChI=1S/C3H5ClO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2
InChIKey: PFWWSGFPICCWGU-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)CC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
HS 번호: 29049090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Cyclopropanesulfonyl chloride can be used in the synthesis of (1R,2S)-1-amino-2-vinylcyclopropanecarboxylic sulfonamide derivatives, which can serve as building blocks in the preparation of potent hepatitis C virus NS3 protease inhibitors.